4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline

C14H19ClN6 — CID 164636840

IUPAC4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline
SMILESCn1nnnc1N1CCC[C@H](CNc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN6/c1-20-14(17-18-19-20)21-8-2-3-11(10-21)9-16-13-6-4-12(15)5-7-13/h4-7,11,16H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyKYKHYTMRNHSAMT-LLVKDONJSA-N
MW306.80 g/mol
LogP2.19
Rot. Bonds4

About 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline

4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline (PubChem CID 164636840) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline
PubChem CID164636840
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline
SMILESCn1nnnc1N1CCC[C@H](CNc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN6/c1-20-14(17-18-19-20)21-8-2-3-11(10-21)9-16-13-6-4-12(15)5-7-13/h4-7,11,16H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyKYKHYTMRNHSAMT-LLVKDONJSA-N
XLogP2.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline (CID 164636840) is 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline is Cn1nnnc1N1CCC[C@H](CNc2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline?
The InChIKey is KYKHYTMRNHSAMT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-20-14(17-18-19-20)21-8-2-3-11(10-21)9-16-13-6-4-12(15)5-7-13/h4-7,11,16H,2-3,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline?
4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline has a molecular weight of 306.80 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(3R)-1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]aniline is sourced from PubChem (CID 164636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).