N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine

C13H18N6 — CID 58576442

IUPACN-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
SMILESCn1nnc(-c2ccc(NC3CCNCC3)cc2)n1
InChIInChI=1S/C13H18N6/c1-19-17-13(16-18-19)10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5,12,14-15H,6-9H2,1H3
InChIKeySJFACCPTROGMQR-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.04
Rot. Bonds3

About N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine

N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine (PubChem CID 58576442) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
PubChem CID58576442
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
SMILESCn1nnc(-c2ccc(NC3CCNCC3)cc2)n1
InChIInChI=1S/C13H18N6/c1-19-17-13(16-18-19)10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5,12,14-15H,6-9H2,1H3
InChIKeySJFACCPTROGMQR-UHFFFAOYSA-N
XLogP1.04
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine (CID 58576442) is N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine is Cn1nnc(-c2ccc(NC3CCNCC3)cc2)n1.
What is the InChIKey of N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine?
The InChIKey is SJFACCPTROGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-19-17-13(16-18-19)10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5,12,14-15H,6-9H2,1H3.
What are the key properties of N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine?
N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 58576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).