1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine

C14H20N6 — CID 63719013

IUPAC1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
SMILESCn1nnnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N6/c1-19-14(16-17-18-19)15-13-8-5-9-20(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,16,18)
InChIKeyHOMVWNQVBDKORG-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.29
Rot. Bonds4

About 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine

1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine (PubChem CID 63719013) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
PubChem CID63719013
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
SMILESCn1nnnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N6/c1-19-14(16-17-18-19)15-13-8-5-9-20(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,16,18)
InChIKeyHOMVWNQVBDKORG-UHFFFAOYSA-N
XLogP1.29
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
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CID 51941035

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine (CID 63719013) is 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine is Cn1nnnc1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The InChIKey is HOMVWNQVBDKORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19-14(16-17-18-19)15-13-8-5-9-20(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,16,18).
What are the key properties of 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine?
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 63719013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).