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

C15H28N6 — CID 63257489

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCCCCn1nnnc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H28N6/c1-2-3-9-21-15(17-18-19-21)12-20-10-6-13(7-11-20)14-5-4-8-16-14/h13-14,16H,2-12H2,1H3
InChIKeyNYGHFVHUYZMVRU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.44
Rot. Bonds6

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

1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 63257489) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID63257489
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCCCCn1nnnc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H28N6/c1-2-3-9-21-15(17-18-19-21)12-20-10-6-13(7-11-20)14-5-4-8-16-14/h13-14,16H,2-12H2,1H3
InChIKeyNYGHFVHUYZMVRU-UHFFFAOYSA-N
XLogP1.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine (CID 63257489) is 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine is CCCCn1nnnc1CN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is NYGHFVHUYZMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-2-3-9-21-15(17-18-19-21)12-20-10-6-13(7-11-20)14-5-4-8-16-14/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 292.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63257489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).