N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine

C19H30N2 — CID 115306890

IUPACN-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)N2CCC(NCC3CC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2/c1-14-4-7-19(15(2)12-14)16(3)21-10-8-18(9-11-21)20-13-17-5-6-17/h4,7,12,16-18,20H,5-6,8-11,13H2,1-3H3
InChIKeyVKZJYHVSMVCVNE-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.83
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine (PubChem CID 115306890) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
PubChem CID115306890
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)N2CCC(NCC3CC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2/c1-14-4-7-19(15(2)12-14)16(3)21-10-8-18(9-11-21)20-13-17-5-6-17/h4,7,12,16-18,20H,5-6,8-11,13H2,1-3H3
InChIKeyVKZJYHVSMVCVNE-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 115306877
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119622613
4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
CID 115306976
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 119624562
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine (CID 115306890) is N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine is Cc1ccc(C(C)N2CCC(NCC3CC3)CC2)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is VKZJYHVSMVCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-4-7-19(15(2)12-14)16(3)21-10-8-18(9-11-21)20-13-17-5-6-17/h4,7,12,16-18,20H,5-6,8-11,13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 286.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115306890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).