[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C17H28N2OS — CID 91777986

IUPAC[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCc1ccsc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C17H28N2OS/c1-15-4-11-21-16(15)12-18-9-5-17(14-20,6-10-18)13-19-7-2-3-8-19/h4,11,20H,2-3,5-10,12-14H2,1H3
InChIKeyBKJIVHHQTTWQMX-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.73
Rot. Bonds5

About [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91777986) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91777986
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCc1ccsc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C17H28N2OS/c1-15-4-11-21-16(15)12-18-9-5-17(14-20,6-10-18)13-19-7-2-3-8-19/h4,11,20H,2-3,5-10,12-14H2,1H3
InChIKeyBKJIVHHQTTWQMX-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-Isopropyl-4-(2-thienylmethyl)piperazin-2-yl]ethanol
CID 16191533
2-[1-(3-Methylbutyl)-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16189110
2-{1-(3-Methyl-2-buten-1-yl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190877
2-{1-(3-Methylbutyl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190997
4-(5-{[3-(2-Hydroxyethyl)-4-(3-thienylmethyl)-1-piperazinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol
CID 16191166
2-[1-Benzyl-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16192245
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
3-[(Dimethylamino)methyl]-1-[(3-methyl-2-thienyl)methyl]-3-piperidinol
CID 56892857
[1-[4-(Methylthio)benzyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91778869
((3S,4S)-4-{1-[(5-methyl-2-thienyl)methyl]-4-piperidyl}tetrahydro-1H-pyrrol-3-yl)methanol
CID 91910129
[2-(2-Methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921813

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91777986) is [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is Cc1ccsc1CN1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is BKJIVHHQTTWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-15-4-11-21-16(15)12-18-9-5-17(14-20,6-10-18)13-19-7-2-3-8-19/h4,11,20H,2-3,5-10,12-14H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 308.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylthiophen-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91777986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).