4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol

C15H32N2O — CID 103494996

IUPAC4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-4-8-16-15(7-11-18)12-17-9-5-14(6-10-17)13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyUXMZDHJTTBSINC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds8

About 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol

4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 103494996) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
PubChem CID103494996
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-4-8-16-15(7-11-18)12-17-9-5-14(6-10-17)13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyUXMZDHJTTBSINC-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899032
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
4-[4-(dimethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-ol
CID 64900324
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899261
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol (CID 103494996) is 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CN1CCC(C(C)C)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is UXMZDHJTTBSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-8-16-15(7-11-18)12-17-9-5-14(6-10-17)13(2)3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 103494996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).