1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine

C14H26N6 — CID 63257316

IUPAC1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCCCn1nnnc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N6/c1-2-8-20-14(16-17-18-20)11-19-9-5-12(6-10-19)13-4-3-7-15-13/h12-13,15H,2-11H2,1H3
InChIKeyBEQGQXMUNMJDGG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.05
Rot. Bonds5

About 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine

1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 63257316) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID63257316
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCCCn1nnnc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N6/c1-2-8-20-14(16-17-18-20)11-19-9-5-12(6-10-19)13-4-3-7-15-13/h12-13,15H,2-11H2,1H3
InChIKeyBEQGQXMUNMJDGG-UHFFFAOYSA-N
XLogP1.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine (CID 63257316) is 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine is CCCn1nnnc1CN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is BEQGQXMUNMJDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-2-8-20-14(16-17-18-20)11-19-9-5-12(6-10-19)13-4-3-7-15-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 278.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63257316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).