N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline

C16H24N2 — CID 119932268

IUPACN-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESc1ccc(N(CC2CCNCC2)CC2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-16(5-3-1)18(12-14-6-7-14)13-15-8-10-17-11-9-15/h1-5,14-15,17H,6-13H2
InChIKeyMRPFWIQKTUVPIC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.90
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline

N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline (PubChem CID 119932268) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
PubChem CID119932268
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESc1ccc(N(CC2CCNCC2)CC2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-16(5-3-1)18(12-14-6-7-14)13-15-8-10-17-11-9-15/h1-5,14-15,17H,6-13H2
InChIKeyMRPFWIQKTUVPIC-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(piperidin-4-ylmethyl)anilino]ethanol
CID 119929310
N-benzyl-4-bromo-N-(piperidin-4-ylmethyl)aniline;hydrochloride
CID 90018953
N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123700312
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
CID 79719670
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432
2-[N-(cyclohexylmethyl)anilino]acetic acid
CID 60839263
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119810163
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
3-[4-[bis(cyclopropylmethyl)amino]phenyl]prop-2-enoic acid
CID 77022676

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline (CID 119932268) is N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline is c1ccc(N(CC2CCNCC2)CC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is MRPFWIQKTUVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-16(5-3-1)18(12-14-6-7-14)13-15-8-10-17-11-9-15/h1-5,14-15,17H,6-13H2.
What are the key properties of N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline?
N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 244.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 119932268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).