2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol

C15H31N3O — CID 64826674

IUPAC2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESCNC(CO)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-16-14(13-19)5-10-17-11-6-15(7-12-17)18-8-3-2-4-9-18/h14-16,19H,2-13H2,1H3
InChIKeyFIDGRMORYWCPCB-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds6

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

2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (PubChem CID 64826674) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
PubChem CID64826674
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESCNC(CO)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-16-14(13-19)5-10-17-11-6-15(7-12-17)18-8-3-2-4-9-18/h14-16,19H,2-13H2,1H3
InChIKeyFIDGRMORYWCPCB-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64826874
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64827038
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64827046
2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64792100

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (CID 64826674) is 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is CNC(CO)CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The InChIKey is FIDGRMORYWCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-16-14(13-19)5-10-17-11-6-15(7-12-17)18-8-3-2-4-9-18/h14-16,19H,2-13H2,1H3.
What are the key properties of 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 64826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).