N-(5-chloro-2-propoxyphenyl)piperidin-4-amine

C14H21ClN2O — CID 54907041

IUPACN-(5-chloro-2-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1ccc(Cl)cc1NC1CCNCC1
InChIInChI=1S/C14H21ClN2O/c1-2-9-18-14-4-3-11(15)10-13(14)17-12-5-7-16-8-6-12/h3-4,10,12,16-17H,2,5-9H2,1H3
InChIKeyKEIWWYFXABGRQX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.29
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)piperidin-4-amine

N-(5-chloro-2-propoxyphenyl)piperidin-4-amine (PubChem CID 54907041) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)piperidin-4-amine
PubChem CID54907041
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(5-chloro-2-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1ccc(Cl)cc1NC1CCNCC1
InChIInChI=1S/C14H21ClN2O/c1-2-9-18-14-4-3-11(15)10-13(14)17-12-5-7-16-8-6-12/h3-4,10,12,16-17H,2,5-9H2,1H3
InChIKeyKEIWWYFXABGRQX-UHFFFAOYSA-N
XLogP3.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
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CID 103980298
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
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CID 124683819

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)piperidin-4-amine?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)piperidin-4-amine (CID 54907041) is N-(5-chloro-2-propoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)piperidin-4-amine is CCCOc1ccc(Cl)cc1NC1CCNCC1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)piperidin-4-amine?
The InChIKey is KEIWWYFXABGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-9-18-14-4-3-11(15)10-13(14)17-12-5-7-16-8-6-12/h3-4,10,12,16-17H,2,5-9H2,1H3.
What are the key properties of N-(5-chloro-2-propoxyphenyl)piperidin-4-amine?
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 54907041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).