(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol

C9H20N2O — CID 121357710

IUPAC(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol
SMILESCC(C)NC[C@H]1CCNC[C@H]1O
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8-3-4-10-6-9(8)12/h7-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyQUKKPWJVJBZDTE-RKDXNWHRSA-N
MW172.27 g/mol
LogP-0.05
Rot. Bonds3

About (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol

(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol (PubChem CID 121357710) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol
PubChem CID121357710
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol
SMILESCC(C)NC[C@H]1CCNC[C@H]1O
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8-3-4-10-6-9(8)12/h7-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyQUKKPWJVJBZDTE-RKDXNWHRSA-N
XLogP-0.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol (CID 121357710) is (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol is CC(C)NC[C@H]1CCNC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol?
The InChIKey is QUKKPWJVJBZDTE-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-5-8-3-4-10-6-9(8)12/h7-12H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol?
(3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(propan-2-ylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 121357710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).