3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol

C14H29N3O — CID 64898995

IUPAC3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESNC(CCO)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-13(6-11-18)12-16-9-4-14(5-10-16)17-7-2-1-3-8-17/h13-14,18H,1-12,15H2
InChIKeyYLQRXENCADHIRF-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.65
Rot. Bonds5

About 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol

3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (PubChem CID 64898995) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
PubChem CID64898995
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESNC(CCO)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-13(6-11-18)12-16-9-4-14(5-10-16)17-7-2-1-3-8-17/h13-14,18H,1-12,15H2
InChIKeyYLQRXENCADHIRF-UHFFFAOYSA-N
XLogP0.65
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine
CID 174081562
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
CID 64898347
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
1-(2,2-dimethoxyethyl)-4-piperidin-1-ylpiperidine
CID 66223606
2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 143121281
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
CID 65296095
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (CID 64898995) is 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is NC(CCO)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The InChIKey is YLQRXENCADHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-13(6-11-18)12-16-9-4-14(5-10-16)17-7-2-1-3-8-17/h13-14,18H,1-12,15H2.
What are the key properties of 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 64898995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).