[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine

C17H26N2S — CID 43346333

IUPAC[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCC(Cc3ccccc3)CC2)CCSC1
InChIInChI=1S/C17H26N2S/c18-13-17(8-11-20-14-17)19-9-6-16(7-10-19)12-15-4-2-1-3-5-15/h1-5,16H,6-14,18H2
InChIKeyCBNXLBBLWDMFAS-UHFFFAOYSA-N
MW290.48 g/mol
LogP2.78
Rot. Bonds4

About [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine

[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 43346333) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine
PubChem CID43346333
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCC(Cc3ccccc3)CC2)CCSC1
InChIInChI=1S/C17H26N2S/c18-13-17(8-11-20-14-17)19-9-6-16(7-10-19)12-15-4-2-1-3-5-15/h1-5,16H,6-14,18H2
InChIKeyCBNXLBBLWDMFAS-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine (CID 43346333) is [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine is NCC1(N2CCC(Cc3ccccc3)CC2)CCSC1.
What is the InChIKey of [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is CBNXLBBLWDMFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c18-13-17(8-11-20-14-17)19-9-6-16(7-10-19)12-15-4-2-1-3-5-15/h1-5,16H,6-14,18H2.
What are the key properties of [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine?
[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 290.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 43346333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).