4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

C16H26N2OS — CID 156601737

IUPAC4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccc(CN2CCC(C)(O)C(N3CCCC3)C2)s1
InChIInChI=1S/C16H26N2OS/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3
InChIKeyVKWPCRQKTRPJKV-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 156601737) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID156601737
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccc(CN2CCC(C)(O)C(N3CCCC3)C2)s1
InChIInChI=1S/C16H26N2OS/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3
InChIKeyVKWPCRQKTRPJKV-UHFFFAOYSA-N
XLogP2.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-{[3-(2-Hydroxyethyl)-4-isopropylpiperazin-1-yl]methyl}-2-thienyl)-2-methylbut-3-yn-2-ol
CID 16188975
2-{1-Isobutyl-4-[(5-methyl-2-thienyl)methyl]piperazin-2-yl}ethanol
CID 16191481
2-{1-Cyclopentyl-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190315
2-{1-(3-Methyl-2-buten-1-yl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190877
4-(5-{[3-(2-Hydroxyethyl)-4-(3-methylbutyl)-1-piperazinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol
CID 16190126
2-{1-(3-Methylbutyl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190997
3-(4-Methylpiperazin-1-yl)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118747193
(3R,4R)-4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053298
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
{(3S,4S)-3-(dimethylamino)-1-[(5-methyl-2-thienyl)methyl]hexahydro-4-pyridinyl}methanol
CID 91915666
3-[5-[[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 99931189

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (CID 156601737) is 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is Cc1ccc(CN2CCC(C)(O)C(N3CCCC3)C2)s1.
What is the InChIKey of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is VKWPCRQKTRPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 294.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 156601737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).