4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol

C17H35N3O — CID 64826874

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)18-16(14-21)6-11-19-12-7-17(8-13-19)20-9-4-3-5-10-20/h15-18,21H,3-14H2,1-2H3
InChIKeyFVMLVUYOAMXNOV-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds7

About 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol

4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64826874) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64826874
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)18-16(14-21)6-11-19-12-7-17(8-13-19)20-9-4-3-5-10-20/h15-18,21H,3-14H2,1-2H3
InChIKeyFVMLVUYOAMXNOV-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol with MolForge

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Related Compounds

2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103504030
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64796609
2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
CID 64828249
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64827038
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64826874) is 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is FVMLVUYOAMXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15(2)18-16(14-21)6-11-19-12-7-17(8-13-19)20-9-4-3-5-10-20/h15-18,21H,3-14H2,1-2H3.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64826874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).