N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C17H27ClN2 — CID 114852030

IUPACN-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCC(C)N(c2cc(Cl)ccc2CNC(C)C)C1
InChIInChI=1S/C17H27ClN2/c1-12(2)19-10-15-7-8-16(18)9-17(15)20-11-13(3)5-6-14(20)4/h7-9,12-14,19H,5-6,10-11H2,1-4H3
InChIKeyKFMXSYQZELQFLD-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.46
Rot. Bonds4

About N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine

N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114852030) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114852030
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCC(C)N(c2cc(Cl)ccc2CNC(C)C)C1
InChIInChI=1S/C17H27ClN2/c1-12(2)19-10-15-7-8-16(18)9-17(15)20-11-13(3)5-6-14(20)4/h7-9,12-14,19H,5-6,10-11H2,1-4H3
InChIKeyKFMXSYQZELQFLD-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
CID 107084249
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114851448
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 114847185
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114850627
N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 114852030) is N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CCC(C)N(c2cc(Cl)ccc2CNC(C)C)C1.
What is the InChIKey of N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is KFMXSYQZELQFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12(2)19-10-15-7-8-16(18)9-17(15)20-11-13(3)5-6-14(20)4/h7-9,12-14,19H,5-6,10-11H2,1-4H3.
What are the key properties of N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).