N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine

C19H30N2O — CID 129279746

IUPACN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCC(C)OCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-15(2)22-13-12-21-10-8-17(9-11-21)20-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyAGRLHLZEHASIMU-RBUKOAKNSA-N
MW302.46 g/mol
LogP3.02
Rot. Bonds7

About N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine

N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine (PubChem CID 129279746) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine
PubChem CID129279746
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCC(C)OCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-15(2)22-13-12-21-10-8-17(9-11-21)20-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyAGRLHLZEHASIMU-RBUKOAKNSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine (CID 129279746) is N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine is CC(C)OCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine?
The InChIKey is AGRLHLZEHASIMU-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)22-13-12-21-10-8-17(9-11-21)20-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine?
N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine has a molecular weight of 302.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-propan-2-yloxyethyl)piperidin-4-amine is sourced from PubChem (CID 129279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).