1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine

C15H22N6 — CID 28621696

IUPAC1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C15H22N6/c1-2-9-20-10-7-14(8-11-20)17-13-3-5-15(6-4-13)21-12-16-18-19-21/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyBHGCIPZUYJRTPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds5

About 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine

1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 28621696) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
PubChem CID28621696
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C15H22N6/c1-2-9-20-10-7-14(8-11-20)17-13-3-5-15(6-4-13)21-12-16-18-19-21/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyBHGCIPZUYJRTPD-UHFFFAOYSA-N
XLogP1.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
CID 104869019
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
CID 43697974
3-N-[4-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79462927
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121645
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
CID 43673068
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine (CID 28621696) is 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine is CCCN1CCC(Nc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is BHGCIPZUYJRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-9-20-10-7-14(8-11-20)17-13-3-5-15(6-4-13)21-12-16-18-19-21/h3-6,12,14,17H,2,7-11H2,1H3.
What are the key properties of 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 28621696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).