(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol

C13H28N2O — CID 95120625

IUPAC(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
SMILESCCC(CC)NCCCN1CCC[C@@H](O)C1
InChIInChI=1S/C13H28N2O/c1-3-12(4-2)14-8-6-10-15-9-5-7-13(16)11-15/h12-14,16H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyLWDXLGMZRCOHGZ-CYBMUJFWSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds7

About (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol

(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol (PubChem CID 95120625) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
PubChem CID95120625
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
SMILESCCC(CC)NCCCN1CCC[C@@H](O)C1
InChIInChI=1S/C13H28N2O/c1-3-12(4-2)14-8-6-10-15-9-5-7-13(16)11-15/h12-14,16H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyLWDXLGMZRCOHGZ-CYBMUJFWSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
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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Related Compounds

(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 131931427
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[2-(3-hydroxypiperidin-1-yl)ethyl]formamide
CID 88885612

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol (CID 95120625) is (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol is CCC(CC)NCCCN1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol?
The InChIKey is LWDXLGMZRCOHGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-12(4-2)14-8-6-10-15-9-5-7-13(16)11-15/h12-14,16H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol?
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol is sourced from PubChem (CID 95120625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).