1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

C18H26N6 — CID 113267753

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc(Cn2nnnc2CN2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-2-4-16(5-3-1)13-24-18(20-21-22-24)14-23-10-8-17(9-11-23)19-12-15-6-7-15/h1-5,15,17,19H,6-14H2
InChIKeyCMMHADVVZDFWNJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.69
Rot. Bonds7

About 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 113267753) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID113267753
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc(Cn2nnnc2CN2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-2-4-16(5-3-1)13-24-18(20-21-22-24)14-23-10-8-17(9-11-23)19-12-15-6-7-15/h1-5,15,17,19H,6-14H2
InChIKeyCMMHADVVZDFWNJ-UHFFFAOYSA-N
XLogP1.69
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 4846949
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (CID 113267753) is 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is c1ccc(Cn2nnnc2CN2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is CMMHADVVZDFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-4-16(5-3-1)13-24-18(20-21-22-24)14-23-10-8-17(9-11-23)19-12-15-6-7-15/h1-5,15,17,19H,6-14H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 113267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).