1-[3-(butan-2-ylamino)propyl]piperidin-4-ol

C12H26N2O — CID 50967827

IUPAC1-[3-(butan-2-ylamino)propyl]piperidin-4-ol
SMILESCCC(C)NCCCN1CCC(O)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(2)13-7-4-8-14-9-5-12(15)6-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyVDRLYNGBKWNRHP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol

1-[3-(butan-2-ylamino)propyl]piperidin-4-ol (PubChem CID 50967827) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(butan-2-ylamino)propyl]piperidin-4-ol
PubChem CID50967827
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[3-(butan-2-ylamino)propyl]piperidin-4-ol
SMILESCCC(C)NCCCN1CCC(O)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(2)13-7-4-8-14-9-5-12(15)6-10-14/h11-13,15H,3-10H2,1-2H3
InChIKeyVDRLYNGBKWNRHP-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol (CID 50967827) is 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol is CCC(C)NCCCN1CCC(O)CC1.
What is the InChIKey of 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol?
The InChIKey is VDRLYNGBKWNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(2)13-7-4-8-14-9-5-12(15)6-10-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol?
1-[3-(butan-2-ylamino)propyl]piperidin-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butan-2-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 50967827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).