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

C15H32N2O — CID 112748261

IUPAC1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(C)CNC(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)16-10-13(3)11-17-8-6-5-7-15(17)9-14(4)18/h12-16,18H,5-11H2,1-4H3
InChIKeyRSJBPXFSURTRQV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds7

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

1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol (PubChem CID 112748261) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol
PubChem CID112748261
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(C)CNC(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)16-10-13(3)11-17-8-6-5-7-15(17)9-14(4)18/h12-16,18H,5-11H2,1-4H3
InChIKeyRSJBPXFSURTRQV-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol (CID 112748261) is 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1CC(C)CNC(C)C.
What is the InChIKey of 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol?
The InChIKey is RSJBPXFSURTRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)16-10-13(3)11-17-8-6-5-7-15(17)9-14(4)18/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol?
1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).