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

C16H25ClN2 — CID 114847203

IUPACN-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccc(Cl)cc2CNC(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)18-11-14-10-15(17)4-5-16(14)19-8-6-13(3)7-9-19/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyRUOCBVLHOPIZDM-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.07
Rot. Bonds4

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

N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114847203) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114847203
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccc(Cl)cc2CNC(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)18-11-14-10-15(17)4-5-16(14)19-8-6-13(3)7-9-19/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyRUOCBVLHOPIZDM-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
N-[[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 114853445
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
1-[4-chloro-2-(chloromethyl)phenyl]-4-methylazepane
CID 114846684
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
N-[[5-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 107457004
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 114847203) is N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CCN(c2ccc(Cl)cc2CNC(C)C)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is RUOCBVLHOPIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(2)18-11-14-10-15(17)4-5-16(14)19-8-6-13(3)7-9-19/h4-5,10,12-13,18H,6-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114847203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).