N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine

C16H24Cl2N2 — CID 65318072

IUPACN-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-2-7-19-11-13-5-8-20(9-6-13)12-14-10-15(17)3-4-16(14)18/h3-4,10,13,19H,2,5-9,11-12H2,1H3
InChIKeyTYRXIYPQTYJVFT-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.20
Rot. Bonds6

About N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine

N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 65318072) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID65318072
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-2-7-19-11-13-5-8-20(9-6-13)12-14-10-15(17)3-4-16(14)18/h3-4,10,13,19H,2,5-9,11-12H2,1H3
InChIKeyTYRXIYPQTYJVFT-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.20
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

N-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 115983027
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
2-[(4S)-1-[(2,5-dichlorophenyl)methyl]azepan-4-yl]acetic acid
CID 129489700
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
CID 65318635
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55235310
N-[[1-[(5-chloro-2-nitrophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79555368
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine (CID 65318072) is N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is TYRXIYPQTYJVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-2-7-19-11-13-5-8-20(9-6-13)12-14-10-15(17)3-4-16(14)18/h3-4,10,13,19H,2,5-9,11-12H2,1H3.
What are the key properties of N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65318072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).