N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine

C16H25N7 — CID 154807532

IUPACN-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine
SMILESCC(c1nnnn1C)N(C)CC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H25N7/c1-13(16-18-19-20-22(16)3)21(2)12-14-6-10-23(11-7-14)15-4-8-17-9-5-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3
InChIKeyTWGPXDKNVVUCIS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.51
Rot. Bonds5

About N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine

N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 154807532) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID154807532
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC NameN-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine
SMILESCC(c1nnnn1C)N(C)CC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H25N7/c1-13(16-18-19-20-22(16)3)21(2)12-14-6-10-23(11-7-14)15-4-8-17-9-5-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3
InChIKeyTWGPXDKNVVUCIS-UHFFFAOYSA-N
XLogP1.51
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine (CID 154807532) is N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine is CC(c1nnnn1C)N(C)CC1CCN(c2ccncc2)CC1.
What is the InChIKey of N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is TWGPXDKNVVUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-13(16-18-19-20-22(16)3)21(2)12-14-6-10-23(11-7-14)15-4-8-17-9-5-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine?
N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 315.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyltetrazol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 154807532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).