(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol

C11H24N2O — CID 97174949

IUPAC(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](CCO)[C@@H]1CCCCN1
InChIInChI=1S/C11H24N2O/c1-9(2)13-11(6-8-14)10-5-3-4-7-12-10/h9-14H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyUUASSAQXYVIEGB-QWRGUYRKSA-N
MW200.33 g/mol
LogP0.88
Rot. Bonds5

About (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol

(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol (PubChem CID 97174949) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol
PubChem CID97174949
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](CCO)[C@@H]1CCCCN1
InChIInChI=1S/C11H24N2O/c1-9(2)13-11(6-8-14)10-5-3-4-7-12-10/h9-14H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyUUASSAQXYVIEGB-QWRGUYRKSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-piperidin-2-ylpropane-1,3-diol
CID 15749478
(2R)-2-propan-2-ylazepane
CID 7048221
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 124705776
1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
4-piperidin-2-ylpentanoic acid
CID 174627267
2-(1-fluoro-4-methylpentyl)piperidine
CID 106634845
4-methoxy-2-methyl-1-piperidin-2-ylbutan-1-ol
CID 106634715

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol (CID 97174949) is (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol is CC(C)N[C@@H](CCO)[C@@H]1CCCCN1.
What is the InChIKey of (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is UUASSAQXYVIEGB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)13-11(6-8-14)10-5-3-4-7-12-10/h9-14H,3-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol?
(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 97174949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).