3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol

C12H26N2O — CID 106634139

IUPAC3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCC1CCCCN1
InChIInChI=1S/C12H26N2O/c1-2-11(6-8-15)9-13-10-12-5-3-4-7-14-12/h11-15H,2-10H2,1H3
InChIKeyHWEPOERJHUGHKR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.13
Rot. Bonds7

About 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol

3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol (PubChem CID 106634139) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
PubChem CID106634139
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCC1CCCCN1
InChIInChI=1S/C12H26N2O/c1-2-11(6-8-15)9-13-10-12-5-3-4-7-14-12/h11-15H,2-10H2,1H3
InChIKeyHWEPOERJHUGHKR-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 106632956
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
CID 106349015
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
CID 106156720
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
4-methyl-N-(piperidin-2-ylmethyl)hexan-2-amine
CID 106634056

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol (CID 106634139) is 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol is CCC(CCO)CNCC1CCCCN1.
What is the InChIKey of 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol?
The InChIKey is HWEPOERJHUGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-11(6-8-15)9-13-10-12-5-3-4-7-14-12/h11-15H,2-10H2,1H3.
What are the key properties of 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol?
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol is sourced from PubChem (CID 106634139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).