(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol

C9H20N2O — CID 129237445

IUPAC(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
SMILESCN[C@@H]1C[C@@H](O)CN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(10-3)4-9(12)6-11/h7-10,12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyKXAHFZPCYVGUOF-RKDXNWHRSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds2

About (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol

(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol (PubChem CID 129237445) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
PubChem CID129237445
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
SMILESCN[C@@H]1C[C@@H](O)CN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(10-3)4-9(12)6-11/h7-10,12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyKXAHFZPCYVGUOF-RKDXNWHRSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol (CID 129237445) is (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol is CN[C@@H]1C[C@@H](O)CN(C(C)C)C1.
What is the InChIKey of (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is KXAHFZPCYVGUOF-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-5-8(10-3)4-9(12)6-11/h7-10,12H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol?
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 129237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).