N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine

C18H29ClN2 — CID 63550854

IUPACN-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CCC(CCC)CC1
InChIInChI=1S/C18H29ClN2/c1-3-6-15-9-12-21(13-10-15)18-8-5-7-17(19)16(18)14-20-11-4-2/h5,7-8,15,20H,3-4,6,9-14H2,1-2H3
InChIKeyYEGZMDMSEAMOCS-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.86
Rot. Bonds7

About N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine

N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 63550854) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID63550854
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CCC(CCC)CC1
InChIInChI=1S/C18H29ClN2/c1-3-6-15-9-12-21(13-10-15)18-8-5-7-17(19)16(18)14-20-11-4-2/h5,7-8,15,20H,3-4,6,9-14H2,1-2H3
InChIKeyYEGZMDMSEAMOCS-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 83055662
N-[[2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 62888458
[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281551
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine (CID 63550854) is N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1N1CCC(CCC)CC1.
What is the InChIKey of N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is YEGZMDMSEAMOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-6-15-9-12-21(13-10-15)18-8-5-7-17(19)16(18)14-20-11-4-2/h5,7-8,15,20H,3-4,6,9-14H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63550854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).