1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol

C14H30N2O — CID 63853660

IUPAC1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCCNC(C)C1CCCCN1CC(O)CC
InChIInChI=1S/C14H30N2O/c1-4-9-15-12(3)14-8-6-7-10-16(14)11-13(17)5-2/h12-15,17H,4-11H2,1-3H3
InChIKeyQQZKTVLNFHVHOA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

About 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol

1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol (PubChem CID 63853660) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
PubChem CID63853660
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCCNC(C)C1CCCCN1CC(O)CC
InChIInChI=1S/C14H30N2O/c1-4-9-15-12(3)14-8-6-7-10-16(14)11-13(17)5-2/h12-15,17H,4-11H2,1-3H3
InChIKeyQQZKTVLNFHVHOA-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63931055
N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63854876
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63852769
2-[2-[1-(propylamino)ethyl]piperidin-1-yl]butanamide
CID 63854877
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol (CID 63853660) is 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol is CCCNC(C)C1CCCCN1CC(O)CC.
What is the InChIKey of 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol?
The InChIKey is QQZKTVLNFHVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-9-15-12(3)14-8-6-7-10-16(14)11-13(17)5-2/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol?
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 63853660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).