N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine

C16H22Cl2N2 — CID 115306881

IUPACN-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1cc(Cl)cc(CN2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-7-13(8-15(18)9-14)11-20-5-3-16(4-6-20)19-10-12-1-2-12/h7-9,12,16,19H,1-6,10-11H2
InChIKeyLMSKFPACTBTODW-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 115306881) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID115306881
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1cc(Cl)cc(CN2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-7-13(8-15(18)9-14)11-20-5-3-16(4-6-20)19-10-12-1-2-12/h7-9,12,16,19H,1-6,10-11H2
InChIKeyLMSKFPACTBTODW-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
1-[(3-chloro-4-nitrophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120841447
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 104973803
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
3-chloro-4-[[4-(cyclopropylmethylamino)piperidin-1-yl]methyl]benzonitrile
CID 102669337

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine (CID 115306881) is N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine is Clc1cc(Cl)cc(CN2CCC(NCC3CC3)CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is LMSKFPACTBTODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-7-13(8-15(18)9-14)11-20-5-3-16(4-6-20)19-10-12-1-2-12/h7-9,12,16,19H,1-6,10-11H2.
What are the key properties of N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 115306881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).