1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine

C14H21ClFN3 — CID 117044801

IUPAC1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
SMILESNCCN1CCC(NCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H21ClFN3/c15-12-1-2-14(16)11(9-12)10-18-13-3-6-19(7-4-13)8-5-17/h1-2,9,13,18H,3-8,10,17H2
InChIKeyZMEDFCXLONZDLT-UHFFFAOYSA-N
MW285.79 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine

1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 117044801) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
PubChem CID117044801
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
SMILESNCCN1CCC(NCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H21ClFN3/c15-12-1-2-14(16)11(9-12)10-18-13-3-6-19(7-4-13)8-5-17/h1-2,9,13,18H,3-8,10,17H2
InChIKeyZMEDFCXLONZDLT-UHFFFAOYSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 70652812
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine (CID 117044801) is 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine is NCCN1CCC(NCc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is ZMEDFCXLONZDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c15-12-1-2-14(16)11(9-12)10-18-13-3-6-19(7-4-13)8-5-17/h1-2,9,13,18H,3-8,10,17H2.
What are the key properties of 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine?
1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 285.79 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 117044801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).