(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine

C18H21N5O — CID 140544511

IUPAC(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine
SMILESCOc1ccc2cc(-c3nnn(C[C@H]4CCCNC4)n3)ccc2c1
InChIInChI=1S/C18H21N5O/c1-24-17-7-6-14-9-16(5-4-15(14)10-17)18-20-22-23(21-18)12-13-3-2-8-19-11-13/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3/t13-/m0/s1
InChIKeyVQFHMJKBSJBTOG-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.50
Rot. Bonds4

About (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine

(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine (PubChem CID 140544511) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine
PubChem CID140544511
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine
SMILESCOc1ccc2cc(-c3nnn(C[C@H]4CCCNC4)n3)ccc2c1
InChIInChI=1S/C18H21N5O/c1-24-17-7-6-14-9-16(5-4-15(14)10-17)18-20-22-23(21-18)12-13-3-2-8-19-11-13/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3/t13-/m0/s1
InChIKeyVQFHMJKBSJBTOG-ZDUSSCGKSA-N
XLogP2.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine?
The IUPAC name of (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine (CID 140544511) is (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine is COc1ccc2cc(-c3nnn(C[C@H]4CCCNC4)n3)ccc2c1.
What is the InChIKey of (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine?
The InChIKey is VQFHMJKBSJBTOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-7-6-14-9-16(5-4-15(14)10-17)18-20-22-23(21-18)12-13-3-2-8-19-11-13/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine?
(3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine has a molecular weight of 323.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-(6-methoxynaphthalen-2-yl)tetrazol-2-yl]methyl]piperidine is sourced from PubChem (CID 140544511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).