N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline

C18H29N3 — CID 62655999

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCN1CCCC(CNc2ccc(CN3CCCC3)cc2)C1
InChIInChI=1S/C18H29N3/c1-20-10-4-5-17(14-20)13-19-18-8-6-16(7-9-18)15-21-11-2-3-12-21/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeySMIWEOLCWPUJKH-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline

N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 62655999) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID62655999
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCN1CCCC(CNc2ccc(CN3CCCC3)cc2)C1
InChIInChI=1S/C18H29N3/c1-20-10-4-5-17(14-20)13-19-18-8-6-16(7-9-18)15-21-11-2-3-12-21/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeySMIWEOLCWPUJKH-UHFFFAOYSA-N
XLogP3.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-4-pentylaniline
CID 62654693
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 83960979
[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
CID 62657533
1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111769074
4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 112721063
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline (CID 62655999) is N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline is CN1CCCC(CNc2ccc(CN3CCCC3)cc2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is SMIWEOLCWPUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-10-4-5-17(14-20)13-19-18-8-6-16(7-9-18)15-21-11-2-3-12-21/h6-9,17,19H,2-5,10-15H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 287.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 62655999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).