3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol

C14H24N2OS — CID 56892857

IUPAC3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
SMILESCc1ccsc1CN1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C14H24N2OS/c1-12-5-8-18-13(12)9-16-7-4-6-14(17,11-16)10-15(2)3/h5,8,17H,4,6-7,9-11H2,1-3H3
InChIKeyUKHLSCMOJFKVIP-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.95
Rot. Bonds4

About 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol

3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol (PubChem CID 56892857) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
PubChem CID56892857
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
SMILESCc1ccsc1CN1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C14H24N2OS/c1-12-5-8-18-13(12)9-16-7-4-6-14(17,11-16)10-15(2)3/h5,8,17H,4,6-7,9-11H2,1-3H3
InChIKeyUKHLSCMOJFKVIP-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Methyl-2-thienyl)methyl]morpholine
CID 782873
N,1-Dimethyl-N-[(3-methyl-2-thienyl)methyl]-4-piperidinamine
CID 763113
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
[1-[(3-Methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
CID 2843228
[1-[(3-Methyl-2-thienyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91777986
4-Methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601740
4-Methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 156601744
[1-[(2,5-Dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol
CID 99841246
2-[3-Hydroxy-1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl]acetonitrile
CID 100693427
(3S*,4R*)-3-isobutyl-4-methyl-1-[(3-methyl-2-thienyl)methyl]piperidin-4-ol
CID 133116834
2-{1-(3-Methyl-2-buten-1-yl)-4-[(3-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 45220980
1-(1-Thiophen-2-ylcyclohexyl)piperidin-3-ol
CID 398085

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol (CID 56892857) is 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol is Cc1ccsc1CN1CCCC(O)(CN(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The InChIKey is UKHLSCMOJFKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12-5-8-18-13(12)9-16-7-4-6-14(17,11-16)10-15(2)3/h5,8,17H,4,6-7,9-11H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol has a molecular weight of 268.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 56892857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).