(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol

C21H35N3O3 — CID 30675368

IUPAC(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCC(C)Oc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1CO
InChIInChI=1S/C21H35N3O3/c1-16(2)27-21-5-4-17(12-18(21)15-25)13-23-7-6-19(20(26)14-23)24-10-8-22(3)9-11-24/h4-5,12,16,19-20,25-26H,6-11,13-15H2,1-3H3/t19-,20-/m1/s1
InChIKeyHWXWAYMWWXGSNZ-WOJBJXKFSA-N
MW377.53 g/mol
LogP1.15
Rot. Bonds6

About (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol

(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol (PubChem CID 30675368) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
PubChem CID30675368
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCC(C)Oc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1CO
InChIInChI=1S/C21H35N3O3/c1-16(2)27-21-5-4-17(12-18(21)15-25)13-23-7-6-19(20(26)14-23)24-10-8-22(3)9-11-24/h4-5,12,16,19-20,25-26H,6-11,13-15H2,1-3H3/t19-,20-/m1/s1
InChIKeyHWXWAYMWWXGSNZ-WOJBJXKFSA-N
XLogP1.15
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol 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

(3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 29211765
[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
CID 72931309
(9aR)-2-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95130582
(3R,4R)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28783299
(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28925767
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
(3R,4R)-1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 56853912
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 45252313
4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline
CID 86698005
(3R,4R)-1-[[4-(N-methylanilino)phenyl]methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 133113566
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol (CID 30675368) is (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol is CC(C)Oc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1CO.
What is the InChIKey of (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The InChIKey is HWXWAYMWWXGSNZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-16(2)27-21-5-4-17(12-18(21)15-25)13-23-7-6-19(20(26)14-23)24-10-8-22(3)9-11-24/h4-5,12,16,19-20,25-26H,6-11,13-15H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol has a molecular weight of 377.53 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol is sourced from PubChem (CID 30675368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).