4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol

C13H28N2O — CID 134434716

IUPAC4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)CCNC1CCN(C(C)C)CC1O
InChIInChI=1S/C13H28N2O/c1-10(2)5-7-14-12-6-8-15(11(3)4)9-13(12)16/h10-14,16H,5-9H2,1-4H3
InChIKeyBPCKOFQWINWXGT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds5

About 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol

4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol (PubChem CID 134434716) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol
PubChem CID134434716
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)CCNC1CCN(C(C)C)CC1O
InChIInChI=1S/C13H28N2O/c1-10(2)5-7-14-12-6-8-15(11(3)4)9-13(12)16/h10-14,16H,5-9H2,1-4H3
InChIKeyBPCKOFQWINWXGT-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol (CID 134434716) is 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol is CC(C)CCNC1CCN(C(C)C)CC1O.
What is the InChIKey of 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is BPCKOFQWINWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)5-7-14-12-6-8-15(11(3)4)9-13(12)16/h10-14,16H,5-9H2,1-4H3.
What are the key properties of 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol?
4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 134434716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).