1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine

C18H28N2S — CID 107165898

IUPAC1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(NCC3CCSC3)CC2)cc1
InChIInChI=1S/C18H28N2S/c1-2-4-16(5-3-1)6-10-20-11-7-18(8-12-20)19-14-17-9-13-21-15-17/h1-5,17-19H,6-15H2
InChIKeyWRKUVHBLJUQJNL-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.04
Rot. Bonds6

About 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine

1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine (PubChem CID 107165898) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
PubChem CID107165898
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(NCC3CCSC3)CC2)cc1
InChIInChI=1S/C18H28N2S/c1-2-4-16(5-3-1)6-10-20-11-7-18(8-12-20)19-14-17-9-13-21-15-17/h1-5,17-19H,6-15H2
InChIKeyWRKUVHBLJUQJNL-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine 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

N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine
CID 115677511
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 120841663
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231
1,4-bis(2-phenylethyl)piperidine
CID 86059939

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine (CID 107165898) is 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine is c1ccc(CCN2CCC(NCC3CCSC3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is WRKUVHBLJUQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-4-16(5-3-1)6-10-20-11-7-18(8-12-20)19-14-17-9-13-21-15-17/h1-5,17-19H,6-15H2.
What are the key properties of 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine?
1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 107165898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).