1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol

C13H21NOS — CID 115882861

IUPAC1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1Cc1ccsc1
InChIInChI=1S/C13H21NOS/c1-2-13(15)12-5-3-4-7-14(12)9-11-6-8-16-10-11/h6,8,10,12-13,15H,2-5,7,9H2,1H3
InChIKeyCYNIOKVHNZQCSF-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol

1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol (PubChem CID 115882861) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
PubChem CID115882861
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1Cc1ccsc1
InChIInChI=1S/C13H21NOS/c1-2-13(15)12-5-3-4-7-14(12)9-11-6-8-16-10-11/h6,8,10,12-13,15H,2-5,7,9H2,1H3
InChIKeyCYNIOKVHNZQCSF-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111332221
1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]propan-1-ol
CID 111333364
methyl 3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111333469
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
CID 64833156
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol?
The IUPAC name of 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol (CID 115882861) is 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol is CCC(O)C1CCCCN1Cc1ccsc1.
What is the InChIKey of 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol?
The InChIKey is CYNIOKVHNZQCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-13(15)12-5-3-4-7-14(12)9-11-6-8-16-10-11/h6,8,10,12-13,15H,2-5,7,9H2,1H3.
What are the key properties of 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol?
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 115882861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).