N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine

C18H30N2OS — CID 97232289

IUPACN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1cc([C@@H](C)NC2CCN(C[C@H]3CCOC3)CC2)c(C)s1
InChIInChI=1S/C18H30N2OS/c1-13-10-18(15(3)22-13)14(2)19-17-4-7-20(8-5-17)11-16-6-9-21-12-16/h10,14,16-17,19H,4-9,11-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyLWMKZZBJJMNJKS-GDBMZVCRSA-N
MW322.52 g/mol
LogP3.52
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 97232289) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
PubChem CID97232289
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1cc([C@@H](C)NC2CCN(C[C@H]3CCOC3)CC2)c(C)s1
InChIInChI=1S/C18H30N2OS/c1-13-10-18(15(3)22-13)14(2)19-17-4-7-20(8-5-17)11-16-6-9-21-12-16/h10,14,16-17,19H,4-9,11-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyLWMKZZBJJMNJKS-GDBMZVCRSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97322617
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine
CID 84587806
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 86779499
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824763
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730358
N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 129436285
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine (CID 97232289) is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine is Cc1cc([C@@H](C)NC2CCN(C[C@H]3CCOC3)CC2)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is LWMKZZBJJMNJKS-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-13-10-18(15(3)22-13)14(2)19-17-4-7-20(8-5-17)11-16-6-9-21-12-16/h10,14,16-17,19H,4-9,11-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 322.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 97232289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).