[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol

C24H32N2O3 — CID 6698751

IUPAC[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
SMILESNCc1ccc([C@H]2O[C@@H](CN3CCCCC3)C[C@@H](c3ccc(CO)cc3)O2)cc1
InChIInChI=1S/C24H32N2O3/c25-15-18-4-10-21(11-5-18)24-28-22(16-26-12-2-1-3-13-26)14-23(29-24)20-8-6-19(17-27)7-9-20/h4-11,22-24,27H,1-3,12-17,25H2/t22-,23+,24+/m1/s1
InChIKeyTYSFQOPNXTWGIP-SGNDLWITSA-N
MW396.53 g/mol
LogP3.67
Rot. Bonds6

About [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol

[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol (PubChem CID 6698751) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
PubChem CID6698751
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
SMILESNCc1ccc([C@H]2O[C@@H](CN3CCCCC3)C[C@@H](c3ccc(CO)cc3)O2)cc1
InChIInChI=1S/C24H32N2O3/c25-15-18-4-10-21(11-5-18)24-28-22(16-26-12-2-1-3-13-26)14-23(29-24)20-8-6-19(17-27)7-9-20/h4-11,22-24,27H,1-3,12-17,25H2/t22-,23+,24+/m1/s1
InChIKeyTYSFQOPNXTWGIP-SGNDLWITSA-N
XLogP3.67
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
CID 6698861
[4-[(2S,4R,6S)-2-[4-[2-(aminomethyl)phenyl]phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
CID 6693299
N-[[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]acetamide
CID 6698762
2-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]isoindole-1,3-dione
CID 6693268
1-[[(4S,6R)-2-[4-(aminomethyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 6679728
2,2,2-trichloro-N-[[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]acetamide
CID 6698753
N-[[4-[(2S,4S,6R)-4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,2,2-trichloroacetamide
CID 6694137
[4-[(2S,4R,6S)-2-[4-[3-(aminomethyl)phenyl]phenyl]-6-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-4-yl]phenyl]methanol
CID 6695916
prop-2-enyl N-[[4-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]carbamate
CID 3306304
1-ethyl-3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]urea
CID 4568366
N-[[4-[(2R,4R,6S)-4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-N'-hydroxypentanediamide
CID 6672999
6-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]methylamino]-6-oxohexanoic acid
CID 6676025

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol?
The IUPAC name of [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol (CID 6698751) is [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol?
The canonical SMILES for [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol is NCc1ccc([C@H]2O[C@@H](CN3CCCCC3)C[C@@H](c3ccc(CO)cc3)O2)cc1.
What is the InChIKey of [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol?
The InChIKey is TYSFQOPNXTWGIP-SGNDLWITSA-N. The full InChI is InChI=1S/C24H32N2O3/c25-15-18-4-10-21(11-5-18)24-28-22(16-26-12-2-1-3-13-26)14-23(29-24)20-8-6-19(17-27)7-9-20/h4-11,22-24,27H,1-3,12-17,25H2/t22-,23+,24+/m1/s1.
What are the key properties of [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol?
[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol has a molecular weight of 396.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(piperidin-1-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol is sourced from PubChem (CID 6698751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).