(2S)-2-(piperidin-3-ylamino)butan-1-ol

C9H20N2O — CID 104980396

IUPAC(2S)-2-(piperidin-3-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCCNC1
InChIInChI=1S/C9H20N2O/c1-2-8(7-12)11-9-4-3-5-10-6-9/h8-12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyYVBGYFMIENIARR-IENPIDJESA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds4

About (2S)-2-(piperidin-3-ylamino)butan-1-ol

(2S)-2-(piperidin-3-ylamino)butan-1-ol (PubChem CID 104980396) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-(piperidin-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(piperidin-3-ylamino)butan-1-ol
PubChem CID104980396
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-(piperidin-3-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCCNC1
InChIInChI=1S/C9H20N2O/c1-2-8(7-12)11-9-4-3-5-10-6-9/h8-12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyYVBGYFMIENIARR-IENPIDJESA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875
N-pent-1-yn-3-ylpiperidin-3-amine
CID 106225565
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
CID 164555639
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
N-(1-cyclopropylbutan-2-yl)azepan-4-amine
CID 103982184
N-ethylpiperidin-3-amine
CID 21278340
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(piperidin-3-ylamino)butan-1-ol?
The IUPAC name of (2S)-2-(piperidin-3-ylamino)butan-1-ol (CID 104980396) is (2S)-2-(piperidin-3-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(piperidin-3-ylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(piperidin-3-ylamino)butan-1-ol is CC[C@@H](CO)NC1CCCNC1.
What is the InChIKey of (2S)-2-(piperidin-3-ylamino)butan-1-ol?
The InChIKey is YVBGYFMIENIARR-IENPIDJESA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-8(7-12)11-9-4-3-5-10-6-9/h8-12H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(piperidin-3-ylamino)butan-1-ol?
(2S)-2-(piperidin-3-ylamino)butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(piperidin-3-ylamino)butan-1-ol is sourced from PubChem (CID 104980396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).